Information card for entry 2230983

Structure parameters

• Chemical name: Poly[(μ-3,5-dinitrobenzoato)(μ-3,5-dinitrobenzoic acid)rubidium]
• Formula: C14 H7 N4 O12 Rb
• Calculated formula: C14 H7 N4 O12 Rb
• SMILES: [Rb+].[O-]C(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O.OC(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O
• Title of publication: Poly[(μ-3,5-dinitrobenzoato)(μ-3,5-dinitrobenzoic acid)rubidium]
• Authors of publication: Miao, Yanqing; Fan, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1040
• a: 9.4823 ± 0.0008 Å
• b: 9.8136 ± 0.0008 Å
• c: 11.4929 ± 0.0011 Å
• α: 68.425 ± 0.001°
• β: 83.821 ± 0.001°
• γ: 67.538 ± 0.001°
• Cell volume: 918.42 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes